2-[(3R,5S)-5-[[(4-methoxypyridin-2-yl)amino]methyl]-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]oxyethanoic acid

Systemtic Name: 2-[(3R,5S)-5-[[(4-methoxypyridin-2-yl)amino]methyl]-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]oxyethanoic acid Openeye Name: 2-[(3R,5S)-1-benzyloxycarbonyl-5-[[(4-methoxy-2-pyridyl)amino]methyl]pyrrolidin-3-yl]oxyacetic acid CAS Name: 2-[[(3R,5S)-5-[[(4-methoxy-2-pyridinyl)amino]methyl]-1-phenylmethoxycarbonyl-3-pyrrolidinyl]oxy]acetic acid IUPAC Name: 2-[(3R,5S)-5-[[(4-methoxypyridin-2-yl)amino]methyl]-1-phenylmethoxycarbonylpyrrolidin-3-yl]oxyacetic acid Traditional Name: 2-[(3R,5S)-1-carbobenzoxy-5-[[(4-methoxy-2-pyridyl)amino]methyl]pyrrolidin-3-yl]oxyacetic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)NCC2CC(CN2C(=O)OCC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

COC1=CC(=NC=C1)NC[C@@H]2C[C@H](CN2C(=O)OCC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C21H25N3O6/c1-28-17-7-8-22-19(10-17)23-11-16-9-18(29-14-20(25)26)12-24(16)21(27)30-13-15-5-3-2-4-6-15/h2-8,10,16,18H,9,11-14H2,1H3,(H,22,23)(H,25,26)/t16-,18+/m0/s1